CID 422931

1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3)OC
InChI
InChI=1S/C18H19NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKey
IKVBMVPAYKTEAQ-UHFFFAOYSA-N
Compound name
1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 166.1
[M+Na]+ 304.13079 182.4
[M+NH4]+ 299.17539 175.5
[M+K]+ 320.10473 173.1
[M-H]- 280.13429 171.6
[M+Na-2H]- 302.11624 175.4
[M]+ 281.14102 170.2
[M]- 281.14212 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe